(3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate

C133H140F36N32O17 — CID 157140717

IUPAC(3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate
SMILESCC(=O)N1CCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)CC1.COC(=O)CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCC[C@@H]3CO)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCNCC3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CC[C@@H](O)C3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)NC3CC3)c2C1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C24H26F6N6O3.C23H25F6N5O3.C22H24F6N6O2.C22H23F6N5O3.C21H21F6N5O4.C21H21F6N5O2/c1-13(37)33-2-4-34(5-3-33)22(39)21-19-12-35(6-7-36(19)23(32-21)24(28,29)30)20(38)10-15(31)8-14-9-17(26)18(27)11-16(14)25;24-15-9-17(26)16(25)7-12(15)6-13(30)8-19(36)32-4-5-34-18(10-32)20(31-22(34)23(27,28)29)21(37)33-3-1-2-14(33)11-35;23-14-10-16(25)15(24)8-12(14)7-13(29)9-18(35)33-5-6-34-17(11-33)19(31-21(34)22(26,27)28)20(36)32-3-1-30-2-4-32;23-14-8-16(25)15(24)6-11(14)5-12(29)7-18(35)31-3-4-33-17(10-31)19(30-21(33)22(26,27)28)20(36)32-2-1-13(34)9-32;1-36-17(34)8-29-19(35)18-15-9-31(2-3-32(15)20(30-18)21(25,26)27)16(33)6-11(28)4-10-5-13(23)14(24)7-12(10)22;22-13-8-15(24)14(23)6-10(13)5-11(28)7-17(33)31-3-4-32-16(9-31)18(19(34)29-12-1-2-12)30-20(32)21(25,26)27/h9,11,15H,2-8,10,12,31H2,1H3;7,9,13-14,35H,1-6,8,10-11,30H2;8,10,13,30H,1-7,9,11,29H2;6,8,12-13,34H,1-5,7,9-10,29H2;5,7,11H,2-4,6,8-9,28H2,1H3,(H,29,35);6,8,11-12H,1-5,7,9,28H2,(H,29,34)/t15-;13-,14-;13-;12-,13-;2*11-/m111111/s1
InChIKeyAKDQHZASSXQQRM-PEHXSBHNSA-N
MW3142.72 g/mol
LogP11.68
Rot. Bonds34

About (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate

(3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate (PubChem CID 157140717) has the molecular formula C133H140F36N32O17 and a molecular weight of 3142.72 g/mol. Its IUPAC name is (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate.

Molecular Properties

Compound Name(3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate
PubChem CID157140717
Molecular FormulaC133H140F36N32O17
Molecular Weight3142.72 g/mol
Exact Mass3141.05
IUPAC Name(3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate
SMILESCC(=O)N1CCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)CC1.COC(=O)CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCC[C@@H]3CO)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCNCC3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CC[C@@H](O)C3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)NC3CC3)c2C1)Cc1cc(F)c(F)cc1F
InChIInChI=1S/C24H26F6N6O3.C23H25F6N5O3.C22H24F6N6O2.C22H23F6N5O3.C21H21F6N5O4.C21H21F6N5O2/c1-13(37)33-2-4-34(5-3-33)22(39)21-19-12-35(6-7-36(19)23(32-21)24(28,29)30)20(38)10-15(31)8-14-9-17(26)18(27)11-16(14)25;24-15-9-17(26)16(25)7-12(15)6-13(30)8-19(36)32-4-5-34-18(10-32)20(31-22(34)23(27,28)29)21(37)33-3-1-2-14(33)11-35;23-14-10-16(25)15(24)8-12(14)7-13(29)9-18(35)33-5-6-34-17(11-33)19(31-21(34)22(26,27)28)20(36)32-3-1-30-2-4-32;23-14-8-16(25)15(24)6-11(14)5-12(29)7-18(35)31-3-4-33-17(10-31)19(30-21(33)22(26,27)28)20(36)32-2-1-13(34)9-32;1-36-17(34)8-29-19(35)18-15-9-31(2-3-32(15)20(30-18)21(25,26)27)16(33)6-11(28)4-10-5-13(23)14(24)7-12(10)22;22-13-8-15(24)14(23)6-10(13)5-11(28)7-17(33)31-3-4-32-16(9-31)18(19(34)29-12-1-2-12)30-20(32)21(25,26)27/h9,11,15H,2-8,10,12,31H2,1H3;7,9,13-14,35H,1-6,8,10-11,30H2;8,10,13,30H,1-7,9,11,29H2;6,8,12-13,34H,1-5,7,9-10,29H2;5,7,11H,2-4,6,8-9,28H2,1H3,(H,29,35);6,8,11-12H,1-5,7,9,28H2,(H,29,34)/t15-;13-,14-;13-;12-,13-;2*11-/m111111/s1
InChIKeyAKDQHZASSXQQRM-PEHXSBHNSA-N
XLogP11.68
TPSA623.44 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms218
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003142.72
LogP ≤ 511.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate?
The IUPAC name of (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate (CID 157140717) is (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate.
What is the SMILES notation for (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate?
The canonical SMILES for (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate is CC(=O)N1CCN(C(=O)c2nc(C(F)(F)F)n3c2CN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC3)CC1.COC(=O)CNC(=O)c1nc(C(F)(F)F)n2c1CN(C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F)CC2.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCC[C@@H]3CO)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CCNCC3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)N3CC[C@@H](O)C3)c2C1)Cc1cc(F)c(F)cc1F.N[C@@H](CC(=O)N1CCn2c(C(F)(F)F)nc(C(=O)NC3CC3)c2C1)Cc1cc(F)c(F)cc1F.
What is the InChIKey of (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate?
The InChIKey is AKDQHZASSXQQRM-PEHXSBHNSA-N. The full InChI is InChI=1S/C24H26F6N6O3.C23H25F6N5O3.C22H24F6N6O2.C22H23F6N5O3.C21H21F6N5O4.C21H21F6N5O2/c1-13(37)33-2-4-34(5-3-33)22(39)21-19-12-35(6-7-36(19)23(32-21)24(28,29)30)20(38)10-15(31)8-14-9-17(26)18(27)11-16(14)25;24-15-9-17(26)16(25)7-12(15)6-13(30)8-19(36)32-4-5-34-18(10-32)20(31-22(34)23(27,28)29)21(37)33-3-1-2-14(33)11-35;23-14-10-16(25)15(24)8-12(14)7-13(29)9-18(35)33-5-6-34-17(11-33)19(31-21(34)22(26,27)28)20(36)32-3-1-30-2-4-32;23-14-8-16(25)15(24)6-11(14)5-12(29)7-18(35)31-3-4-33-17(10-31)19(30-21(33)22(26,27)28)20(36)32-2-1-13(34)9-32;1-36-17(34)8-29-19(35)18-15-9-31(2-3-32(15)20(30-18)21(25,26)27)16(33)6-11(28)4-10-5-13(23)14(24)7-12(10)22;22-13-8-15(24)14(23)6-10(13)5-11(28)7-17(33)31-3-4-32-16(9-31)18(19(34)29-12-1-2-12)30-20(32)21(25,26)27/h9,11,15H,2-8,10,12,31H2,1H3;7,9,13-14,35H,1-6,8,10-11,30H2;8,10,13,30H,1-7,9,11,29H2;6,8,12-13,34H,1-5,7,9-10,29H2;5,7,11H,2-4,6,8-9,28H2,1H3,(H,29,35);6,8,11-12H,1-5,7,9,28H2,(H,29,34)/t15-;13-,14-;13-;12-,13-;2*11-/m111111/s1.
What are the key properties of (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate?
(3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate has a molecular weight of 3142.72 g/mol, XLogP of 11.68, 34 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-(4-acetylpiperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-3-amino-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;(3R)-3-amino-1-[1-(piperazine-1-carbonyl)-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-N-cyclopropyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide;methyl 2-[[7-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carbonyl]amino]acetate is sourced from PubChem (CID 157140717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).